[3-(5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(5-methyl-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Formula: C16H19N3O6P2 MolecularWeight: 411.286082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O6P2/c1-11-9-13(7-8-16(26(20,21)22)27(23,24)25)19-15(17-11)10-14(18-19)12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3,(H2,20,21,22)(H2,23,24,25)